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Compound Detail

CHEMBL1235108

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CC(=O)c1sc(Nc2ccccc2)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1235108
Phase Preclinical
Structure Type MOL
InChI Key UIIUOFPGDKBCEZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
3.40
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H12N2OS
MW 232.31
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -2.02

Literature References

PubMed DOI Target Context # Activities
22516282 10.1016/j.bmcl.2012.03.013 Unchecked 2
22516282 10.1016/j.bmcl.2012.03.013 Prostaglandin G/H synthase 2 2
25580811 10.1021/jm501127s Dihydroorotate dehydrogenase (quinone), mitochondrial 1
25580811 10.1021/jm501127s Dihydroorotate dehydrogenase 1
25580811 10.1021/jm501127s No relevant target 1

Data from ChEMBL 36 via Core Engine